Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes
Certain estrogen metabolites have been implicated in the pathophysiology of breast cancer. Moreover, the estrogen metabolite profiles of healthy women and those with (a high risk of) breast cancer differ significantly. The development of an analytical method to determine the relative levels of all t...
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doaj-f90e6d3eb26d42eba7e9584c42d2614b2020-11-25T02:44:17ZengElsevierData in Brief2352-34092020-04-0129Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumesCarien L. van der Berg0Gerda Venter1Francois H. van der Westhuizen2Elardus Erasmus3Human Metabolomics, North-West University (Potchefstroom Campus), Potchefstroom, 2531, South AfricaHuman Metabolomics, North-West University (Potchefstroom Campus), Potchefstroom, 2531, South AfricaHuman Metabolomics, North-West University (Potchefstroom Campus), Potchefstroom, 2531, South AfricaCorresponding author.; Human Metabolomics, North-West University (Potchefstroom Campus), Potchefstroom, 2531, South AfricaCertain estrogen metabolites have been implicated in the pathophysiology of breast cancer. Moreover, the estrogen metabolite profiles of healthy women and those with (a high risk of) breast cancer differ significantly. The development of an analytical method to determine the relative levels of all the estrogen biotransformation products has been described in van der Berg et al. [1]. An improvement on previously developed methods was the ability to also detect molecules such as sulphate and glucuronide conjugates as well as progesterone, estradiol precursors, and metabolites from the 16-hydroxylation metabolic pathway of estrogens simultaneously with all other estrogen metabolites. The data presented here describe the optimisation of a solid phase extraction method with different fractionation steps for LC-MS/MS analysis of 27 estrogen-related metabolites from small urine volumes. Conditions that were optimised include the elution and washing solvent concentration, the urine, loading, washing, and elution volumes, as well as pH. All raw data used to construct the bar graphs presented in this article are included in the supplementary data file. The data indicated that fractionation was necessary in order to elute estrogen metabolites with different chemical properties at different eluate compositions. Only one of the fractions (containing the less water-soluble metabolites) underwent derivatisation before LC-MS/MS analysis. Keywords: Estrogen metabolism, Solid phase extraction, LC-MS/MS, Method optimisationhttp://www.sciencedirect.com/science/article/pii/S2352340920301165 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Carien L. van der Berg Gerda Venter Francois H. van der Westhuizen Elardus Erasmus |
spellingShingle |
Carien L. van der Berg Gerda Venter Francois H. van der Westhuizen Elardus Erasmus Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes Data in Brief |
author_facet |
Carien L. van der Berg Gerda Venter Francois H. van der Westhuizen Elardus Erasmus |
author_sort |
Carien L. van der Berg |
title |
Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
title_short |
Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
title_full |
Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
title_fullStr |
Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
title_full_unstemmed |
Data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
title_sort |
data on the optimisation of a solid phase extraction method for fractionating estrogen metabolites from small urine volumes |
publisher |
Elsevier |
series |
Data in Brief |
issn |
2352-3409 |
publishDate |
2020-04-01 |
description |
Certain estrogen metabolites have been implicated in the pathophysiology of breast cancer. Moreover, the estrogen metabolite profiles of healthy women and those with (a high risk of) breast cancer differ significantly. The development of an analytical method to determine the relative levels of all the estrogen biotransformation products has been described in van der Berg et al. [1]. An improvement on previously developed methods was the ability to also detect molecules such as sulphate and glucuronide conjugates as well as progesterone, estradiol precursors, and metabolites from the 16-hydroxylation metabolic pathway of estrogens simultaneously with all other estrogen metabolites. The data presented here describe the optimisation of a solid phase extraction method with different fractionation steps for LC-MS/MS analysis of 27 estrogen-related metabolites from small urine volumes. Conditions that were optimised include the elution and washing solvent concentration, the urine, loading, washing, and elution volumes, as well as pH. All raw data used to construct the bar graphs presented in this article are included in the supplementary data file. The data indicated that fractionation was necessary in order to elute estrogen metabolites with different chemical properties at different eluate compositions. Only one of the fractions (containing the less water-soluble metabolites) underwent derivatisation before LC-MS/MS analysis. Keywords: Estrogen metabolism, Solid phase extraction, LC-MS/MS, Method optimisation |
url |
http://www.sciencedirect.com/science/article/pii/S2352340920301165 |
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